Methyl nonafluorobutyl ether supplier

Name
METHYL NONAFLUOROBUTYL ETHER
EINECS
CAS No. 163702-07-6
Article Data3
CAS DataBase
Density 1.529 g/mL at 20 °C
Solubility
Melting Point -135 °C(lit.)
Formula C₅H₃F₉O
Boiling Point 38.7 °C at 760 mmHg
Molecular Weight 250.064
Flash Point -18℃
Transport Information
Appearance clear liquid
Safety 23-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (Perfluorobutoxy)methane;1,1,1,2,2,3,3,4,4-Nonafluoro-4-methoxybutane;1-Methoxynonafluorobutane;CF 61;Cosmetic Fluid CF 61;HFC 7100;HFE 449;Methoxyperfluorobutane;Methyl1,1,2,2,3,3,4,4,4-nonafluorobutyl ether;Methyl nonafluorobutyl ether;Methylperfluorobutyl ether;Nonafluorobutyl methyl ether;Perfluorobutyl methylether;n 7100;
PSA 9.23000
LogP 3.05850

Synthetic route

: 115-10-6
Dimethyl ether

: 335-42-2
perfluorobutyryl fluoride

: 163702-07-6
methyl nonafluorobutyl ether

Conditions

Conditions	Yield
Stage #1: perfluorobutyryl fluoride With silver fluoride at 20℃; for 24h; Autoclave; Stage #2: Dimethyl ether With water at 20℃; for 36h; Autoclave;	81.8%

: 116-15-4
perfluoropropylene

: 360-53-2
1,3,3,3-tetrafluoro-1-methoxy-2-trifluoromethyl-propene

: 163702-07-6
methyl nonafluorobutyl ether

Conditions

Conditions	Yield
With fluorine at -20℃; for 0.333333h; Inert atmosphere;	72.5%

: 67-56-1
methanol

: 116-15-4
perfluoropropylene

A: 382-31-0
2,2,3,4,4,4-hexafluoro-1-butanol

B: 374-84-5
4H-octafluoro-2-difluoromethyl-butane

C: 76523-97-2
1,1,1,2,3,3-hexafluorobutane

D: 163702-07-6
methyl nonafluorobutyl ether

Conditions

Conditions	Yield
Product distribution; Further Variations:; Reagents; Irradiation;	A 20% B n/a C n/a D n/a

...Expand

: 163702-08-7
nonafluoroisobutyl methyl ether

: 163702-07-6
methyl nonafluorobutyl ether

A: 205367-42-6
C5H2ClF9O

B: 221617-86-3
C5H2ClF9O

C: C5HCl2F9O

D: C5HCl2F9O

Conditions

Conditions	Yield
With chlorine for 4h; Irradiation;
With chlorine; 2,2'-azobis(isobutyronitrile) at 60℃; Heating / reflux;

...Expand

: 163702-07-6
methyl nonafluorobutyl ether

A: 353-50-4
Carbonyl fluoride

B: C5F10O2

C: perfluoro-butyl formate

Conditions

Conditions	Yield
With hydroxyl radical at 24.84℃; Kinetics; Temperature; Irradiation;

...Expand

Methyl nonafluorobutyl ether Specification

The IUPAC name of Methyl nonafluorobutyl ether is 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane. With the CAS registry number 163702-07-6, it is also named as 1H,1H,1H-Nonafluoro-2-oxahexane. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.67; (4)ACD/LogD (pH 7.4): 4.67; (5)ACD/BCF (pH 5.5): 2083.38; (6)ACD/BCF (pH 7.4): 2083.38; (7)ACD/KOC (pH 5.5): 8263.62; (8)ACD/KOC (pH 7.4): 8263.62; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.27; (13)Molar Refractivity: 28.29 cm³; (14)Molar Volume: 166.6 cm³; (15)Polarizability: 11.21×10^-24 cm³; (16)Surface Tension: 13 dyne/cm; (17)Enthalpy of Vaporization: 27.16 kJ/mol; (18)Vapour Pressure: 463 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 250.004019; (21)MonoIsotopic Mass: 250.004019; (22)Topological Polar Surface Area: 9.2; (23)Heavy Atom Count: 15; (24)Complexity: 229.

When you are using this chemical, please be cautious about it as the following:
The Methyl nonafluorobutyl ether is irritating to eyes, respiratory system and skin, so people should not breathe vapour and avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(C(F)(F)C(F)(F)F)C(F)(F)OC
2. InChI:InChI=1/C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3

Product Name

METHYL NONAFLUOROBUTYL ETHER

Synthetic route

Methyl nonafluorobutyl ether Specification

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